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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223396 85334967 1 N3O3C17H17 A3B3C17D17 -44.36 6.36 -8.97 -1.29 0
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223397 85334968 1 OSN3C17H17 ABC3D17E17 64.92 6.48 -8.6 -0.76 0
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223398 85334970 1 NOC21H29 ABC21D29 -63.38 5.14 -8.52 -0.35 0
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223399 85334972 1 SCl2N2O3H6C11 AB2C2D3E6F11 -60.15 9.75 -10.12 -1.92 0
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223400 85334974 1 FSN2O3H11C15 ABC2D3E11F15 -46.48 4.06 -9.96 -1.13 0
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223401 85334975 1 NSO2C18H25 ABC2D18E25 -83.09 5.12 -8.72 -0.7 1
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223402 85334980 1 O3N5C15H22 A3B5C15D22 -83.02 7.3 0.0 0.0 0
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223403 85334982 1 ON3C11H17 AB3C11D17 11.07 6.06 -8.41 -0.32 0
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223405 85334986 1 ClO2H17C20 AB2C17D20 -37.97 7.73 -9.29 -1.23 0
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223407 85334988 1 NOC22H31 ABC22D31 -54.74 5.73 -8.64 -0.2 0
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223408 85334989 1 O6C17H26 A6B17C26 -250.6 6.18 -9.95 -0.49 0
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223409 85334990 1 NSO4H13C17 ABC4D13E17 -54.84 2.91 -8.85 -1.52 0
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223411 85334996 1 SCl2N2O3H8C12 AB2C2D3E8F12 -61.18 3.78 -9.68 -1.62 0
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223412 85334998 1 ClN3O3H14C16 AB3C3D14E16 -44.4 5.78 -9.27 -1.47 0
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223413 85334999 1 SO2N4C16H20 AB2C4D16E20 -7.28 6.22 -9.07 -1.92 0
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223414 85335002 1 NF2O3H17C18 AB2C3D17E18 -151.51 1.44 -9.62 -0.73 0
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223415 85335005 1 ClON7C14H16 ABC7D14E16 24.8 7.05 -9.09 -0.74 0
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223416 85335007 1 O4H20C21 A4B20C21 -100.52 4.69 -8.76 -0.99 0
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223417 85335011 1 FO3H19C21 AB3C19D21 -110.66 6.77 -9.06 -1.19 0
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223418 85335013 1 SN2C21H26 AB2C21D26 33.51 7.76 -7.59 0.15 0
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223419 85335014 1 ClNO4C17H22 ABC4D17E22 -187.86 8.65 -9.44 0.04 -1
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223420 85335015 1 BrO4C15H16 AB4C15D16 -119.27 6.25 0.0 0.0 0
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223421 85335017 1 SN2O4H12C17 AB2C4D12E17 27.66 6.71 -10.1 -2.06 0
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223422 85335022 1 FO3N5H14C16 AB3C5D14E16 -21.5 6.32 -9.54 -0.74 0
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223423 85335024 1 FO2N3C19H26 AB2C3D19E26 -113.43 3.58 -8.79 -0.14 0